SCHEMBL20249346

SCHEMBL20249346

CC(C)(C)c1ccc(CC(=O)N2CCNC3(CC3)C2)cn1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 2/20 0.37
CDK4 P11802 1/20 0.37
HSD11B1 P28845 2/20 0.35
SCN9A Q15858 2/20 0.35
CCR9 P51686 3/20 0.34
MC4R P32245 3/20 0.34
GHSR Q92847 1/20 0.34
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RORC P51449 1/20 0.33
BRS3 P32247 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20038223 0.85 VNN1 (0.39) PANK3CDK4HSD11B1SCN9AMC4R
SCHEMBL20249273 0.83 PANK3 (0.45) PANK3CDK4CCR9KDM4ESMN1; SMN2
SCHEMBL20038221 0.83 HSD11B1 (0.37) PANK3CDK4HSD11B1SCN9AMC4R
SCHEMBL18291376 0.83 GABRP (0.46) CDK4HSD11B1SCN9AMC4RGHSR
SCHEMBL18291302 0.82 PANK3 (0.51) PANK3CDK4HSD11B1SCN9AMC4R
SCHEMBL20249140 0.78 IDH1 (0.38) CCR9
SCHEMBL20249329 0.75 HRH3 (0.46) PANK3KDM4ESMN1; SMN2
SCHEMBL20249321 0.72 KCNJ1 (0.44) PANK3HSD11B1KDM4ESMN1; SMN2
SCHEMBL13768896 0.71 CDK4 (0.47) PANK3CDK4HSD11B1SMN1; SMN2
SCHEMBL12040428 0.68 CA2 (0.46) CCR9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 US disclosed
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CDK4, CDK6, CDK16 PANK3 492/4885CDK4 1/4885HSD11B1 1477/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.